N-methyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: N-methyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Formula: C27H35N2O2+ MolecularWeight: 419.579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N(C)C2CCC[NH+](C2)CCCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C27H34N2O2/c1-27(2,31)18-17-23-13-15-24(16-14-23)26(30)28(3)25-12-8-20-29(21-25)19-7-11-22-9-5-4-6-10-22/h4-6,9-10,13-16,25,31H,7-8,11-12,19-21H2,1-3H3/p+1/t25-/m0/s1